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Compound Detail

CHEMBL5207278

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N#Cc1ccc(N2CC(CN3CCC(Nc4ncnc5cnc(N6CCOCC6)cc45)CC3)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5207278
Phase Preclinical
Structure Type MOL
InChI Key MKWVEUFUACIKOR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

484.6
MW (Da)
2.75
ALogP
9
HBA
1
HBD
93.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N8O
MW 484.61
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.86

Literature References

PubMed DOI Target Context # Activities
36173787 10.1021/acs.jmedchem.2c01313 Menin/Histone-lysine N-methyltransferase MLL 1
36173787 10.1021/acs.jmedchem.2c01313 MV4-11 1
36173787 10.1021/acs.jmedchem.2c01313 HL-60 1

Data from ChEMBL 36 via Core Engine